CID 3044958

K 9921

Structural Information

Molecular Formula
C16H14BrNO2
SMILES
CCN(C)C1=CC(=O)C2=C(O1)C=CC3=C2C=CC(=C3)Br
InChI
InChI=1S/C16H14BrNO2/c1-3-18(2)15-9-13(19)16-12-6-5-11(17)8-10(12)4-7-14(16)20-15/h4-9H,3H2,1-2H3
InChIKey
COSBSYARTPKEKP-UHFFFAOYSA-N
Compound name
8-bromo-3-[ethyl(methyl)amino]benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.02078 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02806 167.3
[M+Na]+ 354.01000 180.7
[M-H]- 330.01350 177.8
[M+NH4]+ 349.05460 186.5
[M+K]+ 369.98394 170.6
[M+H-H2O]+ 314.01804 165.7
[M+HCOO]- 376.01898 188.8
[M+CH3COO]- 390.03463 182.3
[M+Na-2H]- 351.99545 176.6
[M]+ 331.02023 191.3
[M]- 331.02133 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.